Glycoside
GD118478
Name:
13-Chloro-3-O-Beta-D-GlucopyranosylsolstitialinFormula:
C22H29O9ClSmiles:
C=C1CCC2C(OC(=O)C2(O)CCl)C2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
C=C1CCC2C(OC(=O)C2(O)CCl)C2C(=C)C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.91 | Num_heavy_atoms: | 31 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD47378
Formula: C16H19O4Cl
Smiles:
C=C1CCC2C(OC(=O)C2(O)CCl)C2C(=C)C(O)CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.77 | Num_heavy_atoms: | 20 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
